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Compile Data Set for Download or QSAR

Found 538 hits with Last Name = 'mckibben' and Initial = 'b'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50051653
PNG
((5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-...)
Show SMILES C[C@@H](Nc1nc(nc2[nH]c(C)c(C)c12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H22N4/c1-14-15(2)23-21-19(14)22(24-16(3)17-10-6-4-7-11-17)26-20(25-21)18-12-8-5-9-13-18/h4-13,16H,1-3H3,(H2,23,24,25,26)/t16-/m1/s1
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6.70n/an/an/an/an/an/an/an/a



Cadus Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards rat A1 receptor was determined


Bioorg Med Chem Lett 9: 2413-8 (1999)


BindingDB Entry DOI: 10.7270/Q2PR7V5N
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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7n/an/an/an/an/an/an/an/a



Cadus Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of the [3H]-CGS-21,680 to human A2a receptor (hA2a) radioligands using competition binding assay


Bioorg Med Chem Lett 9: 2413-8 (1999)


BindingDB Entry DOI: 10.7270/Q2PR7V5N
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50080288
PNG
(CHEMBL81616 | N-[2-(5,6-Dimethyl-2-phenyl-7H-pyrro...)
Show SMILES CC(=O)NCCNc1nc(nc2[nH]c(C)c(C)c12)-c1ccccc1
Show InChI InChI=1S/C18H21N5O/c1-11-12(2)21-18-15(11)17(20-10-9-19-13(3)24)22-16(23-18)14-7-5-4-6-8-14/h4-8H,9-10H2,1-3H3,(H,19,24)(H2,20,21,22,23)
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12n/an/an/an/an/an/an/an/a



Cadus Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of the [3H]-DPCPX to human A1 receptor (hA1) radioligands using competition binding assay


Bioorg Med Chem Lett 9: 2413-8 (1999)


BindingDB Entry DOI: 10.7270/Q2PR7V5N
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50080288
PNG
(CHEMBL81616 | N-[2-(5,6-Dimethyl-2-phenyl-7H-pyrro...)
Show SMILES CC(=O)NCCNc1nc(nc2[nH]c(C)c(C)c12)-c1ccccc1
Show InChI InChI=1S/C18H21N5O/c1-11-12(2)21-18-15(11)17(20-10-9-19-13(3)24)22-16(23-18)14-7-5-4-6-8-14/h4-8H,9-10H2,1-3H3,(H,19,24)(H2,20,21,22,23)
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23n/an/an/an/an/an/an/an/a



Cadus Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of the [3H]-CGS-21,680 to human A2a receptor (hA2a) radioligands using competition binding assay


Bioorg Med Chem Lett 9: 2413-8 (1999)


BindingDB Entry DOI: 10.7270/Q2PR7V5N
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50080292
PNG
(4-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidi...)
Show SMILES Cc1[nH]c2nc(nc(N[C@H]3CC[C@H](O)CC3)c2c1C)-c1ccccc1 |wU:9.8,wD:12.12,(7.76,-9.44,;6.22,-9.46,;5.3,-10.73,;3.85,-10.24,;2.5,-11.04,;1.17,-10.27,;1.17,-8.73,;2.5,-7.93,;2.48,-6.39,;1.15,-5.65,;-.16,-6.42,;-1.5,-5.65,;-1.5,-4.11,;-2.84,-3.34,;-.16,-3.34,;1.17,-4.09,;3.83,-8.7,;5.3,-8.22,;5.75,-6.75,;-.16,-11.04,;-.15,-12.55,;-1.5,-13.32,;-2.82,-12.55,;-2.82,-11.01,;-1.5,-10.24,)|
Show InChI InChI=1S/C20H24N4O/c1-12-13(2)21-19-17(12)20(22-15-8-10-16(25)11-9-15)24-18(23-19)14-6-4-3-5-7-14/h3-7,15-16,25H,8-11H2,1-2H3,(H2,21,22,23,24)/t15-,16-
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25n/an/an/an/an/an/an/an/a



Cadus Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of the [3H]-DPCPX to human A1 receptor (hA1) radioligands using competition binding assay


Bioorg Med Chem Lett 9: 2413-8 (1999)


BindingDB Entry DOI: 10.7270/Q2PR7V5N
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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70n/an/an/an/an/an/an/an/a



Cadus Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [3H]-DPCPX to human A1 receptor (hA1) using competition binding assay


Bioorg Med Chem Lett 9: 2413-8 (1999)


BindingDB Entry DOI: 10.7270/Q2PR7V5N
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50080291
PNG
((5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-...)
Show SMILES Cc1[nH]c2nc(nc(NCc3ccncc3)c2c1C)-c1ccccc1
Show InChI InChI=1S/C20H19N5/c1-13-14(2)23-20-17(13)19(22-12-15-8-10-21-11-9-15)24-18(25-20)16-6-4-3-5-7-16/h3-11H,12H2,1-2H3,(H2,22,23,24,25)
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132n/an/an/an/an/an/an/an/a



Cadus Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of the [3H]-DPCPX to human A1 receptor (hA1) radioligands using competition binding assay


Bioorg Med Chem Lett 9: 2413-8 (1999)


BindingDB Entry DOI: 10.7270/Q2PR7V5N
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50080287
PNG
(1-[2-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrim...)
Show SMILES Cc1[nH]c2nc(nc(NCCN3CCNC3=O)c2c1C)-c1ccccc1
Show InChI InChI=1S/C19H22N6O/c1-12-13(2)22-18-15(12)17(20-8-10-25-11-9-21-19(25)26)23-16(24-18)14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3,(H,21,26)(H2,20,22,23,24)
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144n/an/an/an/an/an/an/an/a



Cadus Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of the [3H]-DPCPX to human A1 receptor (hA1) radioligands using competition binding assay


Bioorg Med Chem Lett 9: 2413-8 (1999)


BindingDB Entry DOI: 10.7270/Q2PR7V5N
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50080287
PNG
(1-[2-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrim...)
Show SMILES Cc1[nH]c2nc(nc(NCCN3CCNC3=O)c2c1C)-c1ccccc1
Show InChI InChI=1S/C19H22N6O/c1-12-13(2)22-18-15(12)17(20-8-10-25-11-9-21-19(25)26)23-16(24-18)14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3,(H,21,26)(H2,20,22,23,24)
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215n/an/an/an/an/an/an/an/a



Cadus Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [3H]-DPCPX to human A1 receptor (hA1) using competition binding assay


Bioorg Med Chem Lett 9: 2413-8 (1999)


BindingDB Entry DOI: 10.7270/Q2PR7V5N
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50080292
PNG
(4-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidi...)
Show SMILES Cc1[nH]c2nc(nc(N[C@H]3CC[C@H](O)CC3)c2c1C)-c1ccccc1 |wU:9.8,wD:12.12,(7.76,-9.44,;6.22,-9.46,;5.3,-10.73,;3.85,-10.24,;2.5,-11.04,;1.17,-10.27,;1.17,-8.73,;2.5,-7.93,;2.48,-6.39,;1.15,-5.65,;-.16,-6.42,;-1.5,-5.65,;-1.5,-4.11,;-2.84,-3.34,;-.16,-3.34,;1.17,-4.09,;3.83,-8.7,;5.3,-8.22,;5.75,-6.75,;-.16,-11.04,;-.15,-12.55,;-1.5,-13.32,;-2.82,-12.55,;-2.82,-11.01,;-1.5,-10.24,)|
Show InChI InChI=1S/C20H24N4O/c1-12-13(2)21-19-17(12)20(22-15-8-10-16(25)11-9-15)24-18(23-19)14-6-4-3-5-7-14/h3-7,15-16,25H,8-11H2,1-2H3,(H2,21,22,23,24)/t15-,16-
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754n/an/an/an/an/an/an/an/a



Cadus Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [3H]-CGS-21,680 to human A2a receptor (hA2a) using competition binding assay


Bioorg Med Chem Lett 9: 2413-8 (1999)


BindingDB Entry DOI: 10.7270/Q2PR7V5N
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50080289
PNG
((R)-3-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyri...)
Show SMILES Cc1[nH]c2nc(nc(N[C@@H]3CCCCNC3=O)c2c1C)-c1ccccc1
Show InChI InChI=1S/C20H23N5O/c1-12-13(2)22-18-16(12)19(23-15-10-6-7-11-21-20(15)26)25-17(24-18)14-8-4-3-5-9-14/h3-5,8-9,15H,6-7,10-11H2,1-2H3,(H,21,26)(H2,22,23,24,25)/t15-/m1/s1
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771n/an/an/an/an/an/an/an/a



Cadus Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against membranes from yeast cells transformed with human A1 receptor (hA1)


Bioorg Med Chem Lett 9: 2413-8 (1999)


BindingDB Entry DOI: 10.7270/Q2PR7V5N
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50080291
PNG
((5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-...)
Show SMILES Cc1[nH]c2nc(nc(NCc3ccncc3)c2c1C)-c1ccccc1
Show InChI InChI=1S/C20H19N5/c1-13-14(2)23-20-17(13)19(22-12-15-8-10-21-11-9-15)24-18(25-20)16-6-4-3-5-7-16/h3-11H,12H2,1-2H3,(H2,22,23,24,25)
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811n/an/an/an/an/an/an/an/a



Cadus Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of the [3H]-CGS-21,680 to human A2a receptor (hA2a) radioligands using competition binding assay


Bioorg Med Chem Lett 9: 2413-8 (1999)


BindingDB Entry DOI: 10.7270/Q2PR7V5N
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50080290
PNG
((1R,2R)-2-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]...)
Show SMILES Cc1[nH]c2nc(nc(N[C@@H]3Cc4ccccc4[C@H]3O)c2c1C)-c1ccccc1
Show InChI InChI=1S/C23H22N4O/c1-13-14(2)24-22-19(13)23(27-21(26-22)15-8-4-3-5-9-15)25-18-12-16-10-6-7-11-17(16)20(18)28/h3-11,18,20,28H,12H2,1-2H3,(H2,24,25,26,27)/t18-,20-/m1/s1
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896n/an/an/an/an/an/an/an/a



Cadus Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of the [3H]-DPCPX to human A1 receptor (hA1) radioligands using competition binding assay


Bioorg Med Chem Lett 9: 2413-8 (1999)


BindingDB Entry DOI: 10.7270/Q2PR7V5N
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50080286
PNG
((S)-2-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyri...)
Show SMILES CC(C)C[C@@H](CO)Nc1nc(nc2[nH]c(C)c(C)c12)-c1ccccc1
Show InChI InChI=1S/C20H26N4O/c1-12(2)10-16(11-25)22-20-17-13(3)14(4)21-19(17)23-18(24-20)15-8-6-5-7-9-15/h5-9,12,16,25H,10-11H2,1-4H3,(H2,21,22,23,24)/t16-/m0/s1
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951n/an/an/an/an/an/an/an/a



Cadus Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of the [3H]-DPCPX to human A1 receptor (hA1) radioligands using competition binding assay


Bioorg Med Chem Lett 9: 2413-8 (1999)


BindingDB Entry DOI: 10.7270/Q2PR7V5N
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50080289
PNG
((R)-3-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyri...)
Show SMILES Cc1[nH]c2nc(nc(N[C@@H]3CCCCNC3=O)c2c1C)-c1ccccc1
Show InChI InChI=1S/C20H23N5O/c1-12-13(2)22-18-16(12)19(23-15-10-6-7-11-21-20(15)26)25-17(24-18)14-8-4-3-5-9-14/h3-5,8-9,15H,6-7,10-11H2,1-2H3,(H,21,26)(H2,22,23,24,25)/t15-/m1/s1
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962n/an/an/an/an/an/an/an/a



Cadus Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [3H]-DPCPX to human A1 receptor (hA1) using competition binding assay


Bioorg Med Chem Lett 9: 2413-8 (1999)


BindingDB Entry DOI: 10.7270/Q2PR7V5N
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50051653
PNG
((5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-...)
Show SMILES C[C@@H](Nc1nc(nc2[nH]c(C)c(C)c12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H22N4/c1-14-15(2)23-21-19(14)22(24-16(3)17-10-6-4-7-11-17)26-20(25-21)18-12-8-5-9-13-18/h4-13,16H,1-3H3,(H2,23,24,25,26)/t16-/m1/s1
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981n/an/an/an/an/an/an/an/a



Cadus Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [3H]-DPCPX to human A1 receptor (hA1) using competition binding assay


Bioorg Med Chem Lett 9: 2413-8 (1999)


BindingDB Entry DOI: 10.7270/Q2PR7V5N
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50080286
PNG
((S)-2-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyri...)
Show SMILES CC(C)C[C@@H](CO)Nc1nc(nc2[nH]c(C)c(C)c12)-c1ccccc1
Show InChI InChI=1S/C20H26N4O/c1-12(2)10-16(11-25)22-20-17-13(3)14(4)21-19(17)23-18(24-20)15-8-6-5-7-9-15/h5-9,12,16,25H,10-11H2,1-4H3,(H2,21,22,23,24)/t16-/m0/s1
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1.14E+3n/an/an/an/an/an/an/an/a



Cadus Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [3H]-DPCPX to human A1 receptor (hA1) using competition binding assay


Bioorg Med Chem Lett 9: 2413-8 (1999)


BindingDB Entry DOI: 10.7270/Q2PR7V5N
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303361
PNG
(US10138222, Example 76)
Show SMILES CN1CCC(CC1)Nc1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
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US Patent
n/an/a 0.610n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent




US Patent US10138222 (2018)


BindingDB Entry DOI: 10.7270/Q2RV0QS2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303364
PNG
(BDBM303369 | US10138222, Example 79)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cncc(NC2CCN(CC2)C2COC2)c1)C(=O)NC1CC1
PDB

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Boehringer Ingelheim International GmbH

US Patent




US Patent US10138222 (2018)


BindingDB Entry DOI: 10.7270/Q2RV0QS2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303360
PNG
(US10138222, Example 75)
Show SMILES Cc1cc(F)c(cc1-c1cnn(c1)-c1cncc(NC2CC3CCC(C2)N3C2COC2)c1)C(=O)NC1CC1 |TLB:18:19:22.23:26|
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Boehringer Ingelheim International GmbH

US Patent




US Patent US10138222 (2018)


BindingDB Entry DOI: 10.7270/Q2RV0QS2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303438
PNG
(US10138222, Example 166)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cncc(NC2CCN(CC2)C2CCOC2)c1)C(=O)NC1CC1
PDB

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Boehringer Ingelheim International GmbH

US Patent




US Patent US10138222 (2018)


BindingDB Entry DOI: 10.7270/Q2RV0QS2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303440
PNG
(US10138222, Example 168)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cncc(NC2CCN(CC3COCCO3)CC2)c1)C(=O)NC1CC1
PDB

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Boehringer Ingelheim International GmbH

US Patent




US Patent US10138222 (2018)


BindingDB Entry DOI: 10.7270/Q2RV0QS2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303380
PNG
(US10138222, Example 105)
Show SMILES Cc1cc(F)c(cc1-c1cnn(c1)-c1cncc(c1)C1CC1)C(=O)NC1CC1
PDB

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Boehringer Ingelheim International GmbH

US Patent




US Patent US10138222 (2018)


BindingDB Entry DOI: 10.7270/Q2RV0QS2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303439
PNG
(US10138222, Example 167)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cncc(NC2CCN(CC3C4COCC34)CC2)c1)C(=O)NC1CC1
PDB

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Boehringer Ingelheim International GmbH

US Patent




US Patent US10138222 (2018)


BindingDB Entry DOI: 10.7270/Q2RV0QS2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303359
PNG
(US10138222, Example 74)
Show SMILES COCCN1CCC(CC1)Nc1cncc(c1)-n1cc(cn1)-c1cc(C(=O)NC2CC2)c(F)cc1C
PDB

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Boehringer Ingelheim International GmbH

US Patent




US Patent US10138222 (2018)


BindingDB Entry DOI: 10.7270/Q2RV0QS2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303432
PNG
(US10138222, Example 160)
Show SMILES COC1CCC(CC1)N1CCC(CC1)Nc1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1 |(-4.57,-12.55,;-5.66,-11.46,;-5.26,-9.97,;-6.35,-8.88,;-5.95,-7.39,;-4.46,-7,;-3.37,-8.09,;-3.77,-9.57,;-4.06,-5.51,;-5.15,-4.42,;-4.75,-2.93,;-3.27,-2.53,;-2.18,-3.62,;-2.58,-5.11,;-2.87,-1.05,;-1.38,-.65,;-.29,-1.74,;1.2,-1.34,;1.59,.15,;.51,1.24,;-.98,.84,;.9,2.73,;-0,3.97,;.9,5.22,;2.37,4.74,;2.37,3.2,;.51,6.7,;1.59,7.79,;1.2,9.28,;-.29,9.68,;-1.38,8.59,;-.98,7.1,;-2.07,6.01,;2.28,10.37,;1.89,11.86,;3.77,9.97,;4.86,11.06,;6.35,11.46,;5.26,12.55,)|
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Boehringer Ingelheim International GmbH

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US Patent US10138222 (2018)


BindingDB Entry DOI: 10.7270/Q2RV0QS2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303362
PNG
(US10138222, Example 77)
Show SMILES CN1CCC(CC1)Nc1cncc(c1)-n1cc(cn1)-c1cc(C(=O)NC2CC2)c(F)cc1C
PDB

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Boehringer Ingelheim International GmbH

US Patent




US Patent US10138222 (2018)


BindingDB Entry DOI: 10.7270/Q2RV0QS2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303355
PNG
(US10138222, Example 68)
Show SMILES Cc1cc(F)c(cc1-c1cnn(c1)-c1cncc(NC2CCN(CC2)C2COC2)c1)C(=O)NC1CC1
PDB

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Boehringer Ingelheim International GmbH

US Patent




US Patent US10138222 (2018)


BindingDB Entry DOI: 10.7270/Q2RV0QS2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303435
PNG
(US10138222, Example 163)
Show SMILES COC1COCCC1N1CCC(CC1)Nc1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
PDB

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Boehringer Ingelheim International GmbH

US Patent




US Patent US10138222 (2018)


BindingDB Entry DOI: 10.7270/Q2RV0QS2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303437
PNG
(US10138222, Example 165)
Show SMILES CC1CC(CCO1)N1CCC(CC1)Nc1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
PDB

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Boehringer Ingelheim International GmbH

US Patent




US Patent US10138222 (2018)


BindingDB Entry DOI: 10.7270/Q2RV0QS2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303430
PNG
(US10138222, Example 158)
Show SMILES CC(=O)N1CCC(CC1)N1CCC(CC1)Nc1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
PDB

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Boehringer Ingelheim International GmbH

US Patent




US Patent US10138222 (2018)


BindingDB Entry DOI: 10.7270/Q2RV0QS2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303363
PNG
(US10138222, Example 78)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cncc(NC2CCOCC2)c1)C(=O)NC1CC1
PDB

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n/an/a 1.30n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent




US Patent US10138222 (2018)


BindingDB Entry DOI: 10.7270/Q2RV0QS2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303441
PNG
(US10138222, Example 169)
Show SMILES CN1CC[C@H](Nc2cncc(c2)-n2cc(cn2)-c2cc(C(=O)NC3CC3)c(F)cc2C)[C@H](F)C1 |r|
PDB

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Boehringer Ingelheim International GmbH

US Patent




US Patent US10138222 (2018)


BindingDB Entry DOI: 10.7270/Q2RV0QS2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303443
PNG
(US10138222, Example 171)
Show SMILES CN(C)C1CCN(CC1)c1cncc(c1)-n1cc(cn1)-c1cc(C(=O)NC2CC2)c(F)cc1C
PDB

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Boehringer Ingelheim International GmbH

US Patent




US Patent US10138222 (2018)


BindingDB Entry DOI: 10.7270/Q2RV0QS2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303364
PNG
(BDBM303369 | US10138222, Example 79)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cncc(NC2CCN(CC2)C2COC2)c1)C(=O)NC1CC1
PDB

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Boehringer Ingelheim International GmbH

US Patent




US Patent US10138222 (2018)


BindingDB Entry DOI: 10.7270/Q2RV0QS2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303448
PNG
(US10138222, Example 176)
Show SMILES CN1CC[C@@H](Nc2cncc(c2)-n2cc(cn2)-c2cc(C(=O)NC3CC3)c(F)cc2C)C(F)(F)C1 |r|
PDB

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Boehringer Ingelheim International GmbH

US Patent




US Patent US10138222 (2018)


BindingDB Entry DOI: 10.7270/Q2RV0QS2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303446
PNG
(US10138222, Example 174)
Show SMILES Cc1cc(F)c(cc1-c1cnn(c1)-c1cncc(NC2CCN(CCF)CC2)c1)C(=O)NC1CC1
PDB

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Boehringer Ingelheim International GmbH

US Patent




US Patent US10138222 (2018)


BindingDB Entry DOI: 10.7270/Q2RV0QS2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303433
PNG
(US10138222, Example 161)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cncc(NC2CCN(CC2)C2CCCOC2)c1)C(=O)NC1CC1
PDB

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Boehringer Ingelheim International GmbH

US Patent




US Patent US10138222 (2018)


BindingDB Entry DOI: 10.7270/Q2RV0QS2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303367
PNG
(US10138222, Example 92)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cncc(NC2CCNCC2)c1)C(=O)NC1CC1
PDB

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Boehringer Ingelheim International GmbH

US Patent




US Patent US10138222 (2018)


BindingDB Entry DOI: 10.7270/Q2RV0QS2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303368
PNG
(US10138222, Example 93)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cncc(NC2CCN(CC2)C2CCC2)c1)C(=O)NC1CC1
PDB

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Boehringer Ingelheim International GmbH

US Patent




US Patent US10138222 (2018)


BindingDB Entry DOI: 10.7270/Q2RV0QS2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303428
PNG
(US10138222, Example 156)
Show SMILES COCC(C)N1CCC(CC1)Nc1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
PDB

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Boehringer Ingelheim International GmbH

US Patent




US Patent US10138222 (2018)


BindingDB Entry DOI: 10.7270/Q2RV0QS2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303353
PNG
(US10138222, Example 67)
Show SMILES CC(Nc1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1)C1CCOC1
PDB

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Boehringer Ingelheim International GmbH

US Patent




US Patent US10138222 (2018)


BindingDB Entry DOI: 10.7270/Q2RV0QS2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303425
PNG
(US10138222, Example 153)
Show SMILES CC(CCO)N1CCC(CC1)Nc1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
PDB

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Boehringer Ingelheim International GmbH

US Patent




US Patent US10138222 (2018)


BindingDB Entry DOI: 10.7270/Q2RV0QS2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303427
PNG
(US10138222, Example 155)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cncc(NC2CCN(CC3CCOCC3)CC2)c1)C(=O)NC1CC1
PDB

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Boehringer Ingelheim International GmbH

US Patent




US Patent US10138222 (2018)


BindingDB Entry DOI: 10.7270/Q2RV0QS2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303447
PNG
(US10138222, Example 175)
Show SMILES CN1CC[C@H](Nc2cncc(c2)-n2cc(cn2)-c2cc(C(=O)NC3CC3)c(F)cc2C)C(F)(F)C1 |r|
PDB

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Boehringer Ingelheim International GmbH

US Patent




US Patent US10138222 (2018)


BindingDB Entry DOI: 10.7270/Q2RV0QS2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303442
PNG
(US10138222, Example 170)
Show SMILES CN1CC[C@@H](Nc2cncc(c2)-n2cc(cn2)-c2cc(C(=O)NC3CC3)c(F)cc2C)[C@@H](F)C1 |r|
PDB

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Boehringer Ingelheim International GmbH

US Patent




US Patent US10138222 (2018)


BindingDB Entry DOI: 10.7270/Q2RV0QS2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303431
PNG
(US10138222, Example 159)
Show SMILES CC1OCCC1N1CCC(CC1)Nc1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1
PDB

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Boehringer Ingelheim International GmbH

US Patent




US Patent US10138222 (2018)


BindingDB Entry DOI: 10.7270/Q2RV0QS2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303445
PNG
(US10138222, Example 173)
Show SMILES CO[C@@H]1CN(C)CC[C@@H]1Nc1cncc(c1)-n1cc(cn1)-c1cc(C(=O)NC2CC2)c(F)cc1Cl |r|
PDB

UniProtKB/SwissProt

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Boehringer Ingelheim International GmbH

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US Patent US10138222 (2018)


BindingDB Entry DOI: 10.7270/Q2RV0QS2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303426
PNG
(US10138222, Example 154)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cncc(NC2CCN(CC3CCOC3)CC2)c1)C(=O)NC1CC1
PDB

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Boehringer Ingelheim International GmbH

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US Patent US10138222 (2018)


BindingDB Entry DOI: 10.7270/Q2RV0QS2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM303444
PNG
(US10138222, Example 172)
Show SMILES CN1CCC(COc2cncc(c2)-n2cc(cn2)-c2cc(C(=O)NC3CC3)c(F)cc2C)C1
PDB

UniProtKB/SwissProt

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Boehringer Ingelheim International GmbH

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US Patent US10138222 (2018)


BindingDB Entry DOI: 10.7270/Q2RV0QS2
More data for this
Ligand-Target Pair
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